2,2-Diphenylhexanoic acid

Base Information

• Chemical Name: 2,2-Diphenylhexanoic acid
• CAS No.: 2902-60-5
• Molecular Formula: C18H20 O2
• Molecular Weight: 268.356
• NSC Number: 97458
• DSSTox Substance ID: DTXSID00294624
• Wikidata: Q82034005
• Mol file: 2902-60-5.mol

Synonyms:2,2-diphenylhexanoic acid;2902-60-5;NSC97458;NCIOpen2_006228;DTXSID00294624;CAA90260;NSC-97458;EN300-6481867;Z2787465007

Chemical Property of 2,2-Diphenylhexanoic acid

Chemical Property:

• Vapor Pressure: 1.89E-05mmHg at 25°C
• Boiling Point: 348.4°Cat760mmHg
• Flash Point: 178.7°C
• Density: 1.087g/cm³
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 268.146329876
• Heavy Atom Count: 20
• Complexity: 281

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)O

Technology Process of 2,2-Diphenylhexanoic acid

There total 2 articles about 2,2-Diphenylhexanoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

2,2-diphenyl-hexanoic acid methyl ester (102162-20-9) → 2,2-diphenyl-hexanoic acid (2902-60-5)

Guidance literature:

Reference yield:

→ 2,2-diphenyl-hexanoic acid (2902-60-5)

Guidance literature:

Entspr. Aethylester, sd. aethanol. KOH, 24 h;

Reference yield: 91.0%

2,2-diphenyl-hexanoic acid (2902-60-5) → 1,1-diphenyl-pent-1-ene (1530-11-6)

Guidance literature:

With bis-[(trifluoroacetoxy)iodo]benzene; In acetonitrile; at 120 ℃; for 0.333333h; Microwave irradiation; Sealed tube;

DOI:10.1021/acs.orglett.5b03069

upstream raw materials:

2,2-diphenyl-hexanoic acid methyl ester

Downstream raw materials:

2,2-diphenyl-hexanoyl chloride

2,2-diphenyl-hexanoic acid-(2-dimethylamino-ethyl ester)

1,1-diphenyl-pent-1-ene